N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide

C16H23FN2O3 — CID 122224392

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCOc1cccc(F)c1CNC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H23FN2O3/c1-10(2)19(11(3)4)16(21)15(20)18-9-12-13(17)7-6-8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,18,20)
InChIKeyJPLLFFNESUYJIN-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide

N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide (PubChem CID 122224392) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
PubChem CID122224392
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCOc1cccc(F)c1CNC(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H23FN2O3/c1-10(2)19(11(3)4)16(21)15(20)18-9-12-13(17)7-6-8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,18,20)
InChIKeyJPLLFFNESUYJIN-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5-methylphenyl)methyl)amino)-6-methyl-
CID 454369
2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454372
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2(1H)-Pyridinone, 5-ethyl-3-(((4-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454371
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-methylphenyl)methyl)amino)-6-methyl-
CID 454367
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-6-methylphenyl)methyl)amino)-6-methyl-
CID 454370

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide (CID 122224392) is N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide is COc1cccc(F)c1CNC(=O)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The InChIKey is JPLLFFNESUYJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10(2)19(11(3)4)16(21)15(20)18-9-12-13(17)7-6-8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,18,20).
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide has a molecular weight of 310.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-N',N'-di(propan-2-yl)oxamide is sourced from PubChem (CID 122224392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).